N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine

C10H20BrN — CID 65009190

IUPACN-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1(CBr)CCC1
InChIInChI=1S/C10H20BrN/c1-9(2)12(3)8-10(7-11)5-4-6-10/h9H,4-8H2,1-3H3
InChIKeyWAFNLOCZPFEZEM-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.89
Rot. Bonds4

About N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine

N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine (PubChem CID 65009190) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine
PubChem CID65009190
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC NameN-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1(CBr)CCC1
InChIInChI=1S/C10H20BrN/c1-9(2)12(3)8-10(7-11)5-4-6-10/h9H,4-8H2,1-3H3
InChIKeyWAFNLOCZPFEZEM-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine (CID 65009190) is N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine is CC(C)N(C)CC1(CBr)CCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine?
The InChIKey is WAFNLOCZPFEZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN/c1-9(2)12(3)8-10(7-11)5-4-6-10/h9H,4-8H2,1-3H3.
What are the key properties of N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine?
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine has a molecular weight of 234.18 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 65009190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).